1-[3-[(2-ethylimidazol-1-yl)methyl]-1-benzofuran-2-yl]-N-methylmethanamine

C16H19N3O — CID 62442757

IUPAC1-[3-[(2-ethylimidazol-1-yl)methyl]-1-benzofuran-2-yl]-N-methylmethanamine
SMILESCCc1nccn1Cc1c(CNC)oc2ccccc12
InChIInChI=1S/C16H19N3O/c1-3-16-18-8-9-19(16)11-13-12-6-4-5-7-14(12)20-15(13)10-17-2/h4-9,17H,3,10-11H2,1-2H3
InChIKeyVRFZTMPRVZEPKN-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.96
Rot. Bonds5

About 1-[3-[(2-ethylimidazol-1-yl)methyl]-1-benzofuran-2-yl]-N-methylmethanamine

1-[3-[(2-ethylimidazol-1-yl)methyl]-1-benzofuran-2-yl]-N-methylmethanamine (PubChem CID 62442757) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 1-[3-[(2-ethylimidazol-1-yl)methyl]-1-benzofuran-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-[(2-ethylimidazol-1-yl)methyl]-1-benzofuran-2-yl]-N-methylmethanamine
PubChem CID62442757
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name1-[3-[(2-ethylimidazol-1-yl)methyl]-1-benzofuran-2-yl]-N-methylmethanamine
SMILESCCc1nccn1Cc1c(CNC)oc2ccccc12
InChIInChI=1S/C16H19N3O/c1-3-16-18-8-9-19(16)11-13-12-6-4-5-7-14(12)20-15(13)10-17-2/h4-9,17H,3,10-11H2,1-2H3
InChIKeyVRFZTMPRVZEPKN-UHFFFAOYSA-N
XLogP2.96
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-ethylimidazol-1-yl)methyl]-1-benzofuran-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[3-[(2-ethylimidazol-1-yl)methyl]-1-benzofuran-2-yl]-N-methylmethanamine (CID 62442757) is 1-[3-[(2-ethylimidazol-1-yl)methyl]-1-benzofuran-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-[(2-ethylimidazol-1-yl)methyl]-1-benzofuran-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[3-[(2-ethylimidazol-1-yl)methyl]-1-benzofuran-2-yl]-N-methylmethanamine is CCc1nccn1Cc1c(CNC)oc2ccccc12.
What is the InChIKey of 1-[3-[(2-ethylimidazol-1-yl)methyl]-1-benzofuran-2-yl]-N-methylmethanamine?
The InChIKey is VRFZTMPRVZEPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-3-16-18-8-9-19(16)11-13-12-6-4-5-7-14(12)20-15(13)10-17-2/h4-9,17H,3,10-11H2,1-2H3.
What are the key properties of 1-[3-[(2-ethylimidazol-1-yl)methyl]-1-benzofuran-2-yl]-N-methylmethanamine?
1-[3-[(2-ethylimidazol-1-yl)methyl]-1-benzofuran-2-yl]-N-methylmethanamine has a molecular weight of 269.35 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-ethylimidazol-1-yl)methyl]-1-benzofuran-2-yl]-N-methylmethanamine is sourced from PubChem (CID 62442757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).